SCHEMBL439093

SCHEMBL439093

NOCc1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 1.00
LOXL2 Q9Y4K0 1/20 0.61
AKR1C3 P42330 1/20 0.58
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
CA7 P43166 1/20 0.54
TSHR P16473 1/20 0.52
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAOB P27338 1/20 0.49
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL659130 0.98 IDO1 (1.00) IDO1LOXL2AKR1C3CA12CA1
SCHEMBL2351746 0.84 IDO1 (0.72) IDO1LOXL2AKR1C3CA12CA1
SCHEMBL37463 0.83 IDO1 (0.70) IDO1LOXL2AKR1C3CA12CA1
SCHEMBL8062311 0.83 IDO1 (0.70) IDO1LOXL2AKR1C3CA12CA1
SCHEMBL28381661 0.80 IDO1 (0.67) IDO1LOXL2AKR1C3CA12CA1
SCHEMBL10546903 0.79 IDO1 (0.65) IDO1LOXL2AKR1C3RAB9AALDH1A1
SCHEMBL23091915 0.79 IDO1 (0.66) IDO1LOXL2AKR1C3CA12CA1
SCHEMBL4016592 0.79 IDO1 (0.66) IDO1LOXL2AKR1C3CA12CA1
SCHEMBL12417032 0.79 IDO1 (0.66) IDO1LOXL2AKR1C3CA12CA1
SCHEMBL535425 0.79 IDO1 (0.66) IDO1LOXL2TSHRALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 223 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115362161-B Process for preparing 3' -O-amino-2 ' -deoxyribonucleoside-5 ' -triphosphate DNA斯克瑞普特公司 2025-03-07 CN claimed
CN-117907491-B Double-derivatization technology-based abasic site LC-MS/MS analysis method 中国人民解放军军事科学院军事医学研究院 2024-06-04 CN claimed
CN-117907491-A Double-derivatization technology-based abasic site LC-MS/MS analysis method 中国人民解放军军事科学院军事医学研究院 2024-04-19 CN claimed
CN-115950970-A HPLC detection method for ketose in aldose 唐传生物科技(厦门)有限公司 2023-04-11 CN claimed
CN-115932076-A Method for detecting ketose in aldose 唐传生物科技(厦门)有限公司 2023-04-07 CN claimed
CN-115362161-A Process for preparing 3' -O-amino-2 ' -deoxyribonucleoside-5 ' -triphosphates DNA斯克瑞普特公司 2022-11-18 CN claimed
WO-2022122846-A1 ETHODS OF DETECTING ALDEHYDES IN SAMPLES LONZA LTD (CH) 2022-06-16 WO claimed
WO-2022040110-A2 ALKYLATING AGENT AND COMBINATIONS IN THE TREATMENT OF IMMUNE-RELATED AND LIVER DISEASES, ALZHEIMER'S DISEASES AND FIBROSIS DISEASES LIU SHENG (US) 2022-02-24 WO claimed
US-20210300961-A1 METHOD FOR PREPARING 3'-O-AMINO-2'-DEOXYRIBONUCLEOSIDE-5'-TRIPHOSPHATES DNA SCRIPT SAS (FR) 2021-09-30 US claimed
US-10725042-B2 Methods of diagnosing and treating cancer CASE WESTERN RESERVE UNIVERSITY (US) 2020-07-28 US claimed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US claimed
US-20100267657-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER CASE WESTERN RESERVE UNIVERSITY 2010-10-21 US claimed
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009150834-A1 METHOD FOR PREPARATION OF SUGAR CHAIN SAMPLE, SUGAR CHAIN SAMPLE, AND METHOD FOR ANALYSIS OF SUGAR CHAIN 住友ベークライト株式会社 (JP) 2009-12-17 WO claimed
US-20090306291-A1 SUGAR CHAIN-CAPTURING SUBSTANCE AND USE THEREOF SUMITOMO BAKELITE CO., LTD. (JP) 2009-12-10 US claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed
EP-0334590-B1 3-(Substituted)-1-carba(dethia)-3-cephems and cephalosporins and a process for production therefor LILLY CO ELI (US) 2001-07-04 EP claimed
WO-1992007951-A1 QUANTITATION OF ALDEHYDE-CONTAINING LESIONS IN NUCLEIC ACIDS KOW YOKE WAH (US) 1992-05-14 WO claimed
EP-0334590-A2 3-(Substituted)-1-carba(dethia)-3-cephems and cephalosporins and a process for production therefor ELI LILLY AND COMPANY (US) 1989-09-27 EP claimed
US-4855418-A Process for production of ceophalosporins ELI LILLY AND COMPANY (US) 1989-08-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210300961-A1 METHOD FOR PREPARING 3'-O-AMINO-2'-DEOXYRIBONUCLEOSIDE-5'-TRIPHOSPHATES DUT, RNMT, NUDT1 IDO1 997/4885LOXL2 1605/4885AKR1C3 1004/4885
US-20100267657-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER DNASE1, DNASE1L3, UNG IDO1 2814/4885LOXL2 3649/4885AKR1C3 2282/4885
US-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885LOXL2 1097/4885AKR1C3 821/4885
US-10725042-B2 Methods of diagnosing and treating cancer UNG, NTPCR, GUSB IDO1 2941/4885LOXL2 1863/4885AKR1C3 1680/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.